| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:34 UTC |
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| Update Date | 2025-03-25 01:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250707 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N2O3 |
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| Molecular Mass | 206.0691 |
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| SMILES | O=C(O)CC1(c2ccccc2)N=C(O)N1 |
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| InChI Key | HRKGLPAIINQVRA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdiazetidineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | 1,3-diazetidinemonocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acidaromatic heteromonocyclic compoundazacycle3-phenylpropanoic-acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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